(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

C20H19ClN2O2 — CID 95055404

IUPAC(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCC[C@@H]1Cn2c(C(=O)NCc3cccc(Cl)c3)cc3cccc(c32)O1
InChIInChI=1S/C20H19ClN2O2/c1-2-16-12-23-17(10-14-6-4-8-18(25-16)19(14)23)20(24)22-11-13-5-3-7-15(21)9-13/h3-10,16H,2,11-12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyKIGVPJSVVYFJSP-MRXNPFEDSA-N
MW354.84 g/mol
LogP4.40
Rot. Bonds4

About (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (PubChem CID 95055404) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound Name(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
PubChem CID95055404
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCC[C@@H]1Cn2c(C(=O)NCc3cccc(Cl)c3)cc3cccc(c32)O1
InChIInChI=1S/C20H19ClN2O2/c1-2-16-12-23-17(10-14-6-4-8-18(25-16)19(14)23)20(24)22-11-13-5-3-7-15(21)9-13/h3-10,16H,2,11-12H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyKIGVPJSVVYFJSP-MRXNPFEDSA-N
XLogP4.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The IUPAC name of (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (CID 95055404) is (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.
What is the SMILES notation for (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The canonical SMILES for (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is CC[C@@H]1Cn2c(C(=O)NCc3cccc(Cl)c3)cc3cccc(c32)O1.
What is the InChIKey of (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The InChIKey is KIGVPJSVVYFJSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-16-12-23-17(10-14-6-4-8-18(25-16)19(14)23)20(24)22-11-13-5-3-7-15(21)9-13/h3-10,16H,2,11-12H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
(10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-N-[(3-chlorophenyl)methyl]-10-ethyl-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 95055404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).